SCHEMBL951488

SCHEMBL951488

CCCCOC(=O)NC1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
P2RY12 Q9H244 11/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL951489 1.00 CTSK (0.49) CTSKP2RY12ITGB3ITGA2BBCHE
SCHEMBL317465 0.88 P2RY12 (0.59) P2RY12
SCHEMBL317464 0.88 P2RY12 (0.59) P2RY12
SCHEMBL951528 0.82 P2RY12 (0.55) P2RY12
SCHEMBL951526 0.82 P2RY12 (0.55) P2RY12
SCHEMBL3720732 0.82 P2RY12 (0.52) P2RY12ITGB3ITGA2BTGM2
SCHEMBL317119 0.81 P2RX7 (0.56) P2RY12BCHEACHE
SCHEMBL317118 0.81 P2RX7 (0.56) P2RY12BCHEACHE
SCHEMBL694622 0.80 ITGB3 (0.51) P2RY12ITGB3ITGA2BBCHEACHE
SCHEMBL694623 0.80 ITGB3 (0.51) P2RY12ITGB3ITGA2BBCHEACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 CTSK 2016/4885P2RY12 2/4885ITGB3 828/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.